Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7124741
Preview
| Coordinates | 7124741.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | hexakis(carboxyphenyl)dodecadehydrotribenzo[18]annulene, fullerene, 1,2,4-trichlorobenzene solvate |
|---|---|
| Formula | C156 H51 Cl8 O12 |
| Calculated formula | C155.994 H51 Cl8 O12 |
| Title of publication | Alignment of paired molecules of C60 within a hexagonal platform networked through hydrogen-bonds. |
| Authors of publication | Hisaki, Ichiro; Nakagawa, Shoichi; Sato, Hiroyasu; Tohnai, Norimitsu |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 63 |
| Pages of publication | 9781 - 9784 |
| a | 13.8208 ± 0.0004 Å |
| b | 17.4812 ± 0.0006 Å |
| c | 24.2884 ± 0.0009 Å |
| α | 76.082 ± 0.003° |
| β | 87.204 ± 0.003° |
| γ | 70.991 ± 0.003° |
| Cell volume | 5382.5 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2079 |
| Residual factor for significantly intense reflections | 0.1497 |
| Weighted residual factors for significantly intense reflections | 0.4025 |
| Weighted residual factors for all reflections included in the refinement | 0.4352 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.478 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234183 (current) | 2019-11-23 | cif/ Adding structures of 7124740, 7124741, 7124742 via cif-deposit CGI script. |
7124741.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.